3-(2,4,5-trichlorophenyl)pyridin-2-amine

C11H7Cl3N2 — CID 119020095

IUPAC3-(2,4,5-trichlorophenyl)pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl3N2/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-16-11(6)15/h1-5H,(H2,15,16)
InChIKeyOEEXIZKBFKTFPA-UHFFFAOYSA-N
MW273.55 g/mol
LogP4.29
Rot. Bonds1

About 3-(2,4,5-trichlorophenyl)pyridin-2-amine

3-(2,4,5-trichlorophenyl)pyridin-2-amine (PubChem CID 119020095) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 3-(2,4,5-trichlorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2,4,5-trichlorophenyl)pyridin-2-amine
PubChem CID119020095
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name3-(2,4,5-trichlorophenyl)pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl3N2/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-16-11(6)15/h1-5H,(H2,15,16)
InChIKeyOEEXIZKBFKTFPA-UHFFFAOYSA-N
XLogP4.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trichlorophenyl)pyridin-2-amine?
The IUPAC name of 3-(2,4,5-trichlorophenyl)pyridin-2-amine (CID 119020095) is 3-(2,4,5-trichlorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-(2,4,5-trichlorophenyl)pyridin-2-amine?
The canonical SMILES for 3-(2,4,5-trichlorophenyl)pyridin-2-amine is Nc1ncccc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-(2,4,5-trichlorophenyl)pyridin-2-amine?
The InChIKey is OEEXIZKBFKTFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-16-11(6)15/h1-5H,(H2,15,16).
What are the key properties of 3-(2,4,5-trichlorophenyl)pyridin-2-amine?
3-(2,4,5-trichlorophenyl)pyridin-2-amine has a molecular weight of 273.55 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trichlorophenyl)pyridin-2-amine is sourced from PubChem (CID 119020095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).